Publications | Max Planck Institute for the Structure and Dynamics of Matter

Max Planck Institute for the Structure and Dynamics of Matter

Journal Article (216)

2018

Journal Article

Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods

A. G. Pueyo, M. A. L. Marques, A. Rubio, A. Castro

Journal of Chemical Theory and Computation 14 (6), 3040–3052 (2018)

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Journal Article

Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials

Y. Miyamoto, A. Rubio

Journal of the Physical Society of Japan 87 (4), 041016 (2018)

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Journal Article

Transient Charge and Energy Flow in the Wide-Band Limit

F. Covito, F. G. Eich, R. Tuovinen, M. A. Sentef, A. Rubio

Journal of Chemical Theory and Computation 14 (5), 2495–2504 (2018)

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Journal Article

Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

S. Sato, A. Kelly, A. Rubio

Physical Review B 97 (13), 134308 (2018)

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Journal Article

From a quantum-electrodynamical light–matter description to novel spectroscopies

M. Ruggenthaler, N. Tancogne-Dejean, J. Flick, H. Appel, A. Rubio

Nature Reviews Chemistry 2 (3), UNSP 0118 (2018)

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supplementary-material

Journal Article

Layered Insulator/Molecule/Metal Heterostructures with Molecular Functionality through Porphyrin Intercalation

J. Ducke, A. Riss, A. Pérez Paz, K. Seufert, M. Schwarz, M. Garnica, A. Rubio, W. Auwärter

ACS Nano 12 (3), 2677–2684 (2018)

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Journal Article

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

J. Flick, C. Schäfer, M. Ruggenthaler, H. Appel, A. Rubio

ACS Photonics 5 (3), 992–1005 (2018)

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Journal Article

Atomic-like high-harmonic generation from two-dimensional materials

N. Tancogne-Dejean, A. Rubio

Science Advances 4 (2), eaao5207 (2018)

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Journal Article

Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy

V. Rokaj, D. Welakuh, M. Ruggenthaler, A. Rubio

Journal of Physics B: Atomic, Molecular and Optical Physics 51 (3), 034005 (2018)

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Journal Article

Phonon-driven spin-Floquet magneto-valleytronics in MoS₂

D. Shin, H. Hübener, U. de Giovannini, H. Jin, A. Rubio, N. Park

Nature Communications 9 (638), 638 (2018)

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Journal Article

Phonon Driven Floquet Matter

H. Hübener, U. de Giovannini, A. Rubio

Nano Letters 18 (2), 1535–1542 (2018)

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supplementary-material

Journal Article

Large area planar stanene epitaxially grown on Ag(1 1 1)

J. Yuhara, Y. Fujii, K. Nishino, N. Isobe, M. Nakatake, L. Xian, A. Rubio, G. Le Lay

2D Materials 5 (2), 025002 (2018)

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2017

Journal Article

Self-consistent DFT + U method for real-space time-dependent density functional theory calculations

N. Tancogne-Dejean, M. J. T. Oliveira, A. Rubio

Physical Review B 96 (24), 245133 (2017)

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Journal Article

Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne

L. Shi, P. Rohringer, M. Wanko, A. Rubio, S. Waßerroth, S. Reich, S. Cambré, W. Wenseleers, P. Ayala, T. Pichler

Physical Review Materials 1 (7), 075601 (2017)

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Journal Article

Exact functionals for correlated electron-photon systems

T. Dimitrov, J. Flick, M. Ruggenthaler, A. Rubio

New Journal of Physics 19, 113036 (2017)

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Journal Article

Ellipticity dependence of high-harmonic generation in solids originating from coupled intraband and interband dynamics

N. Tancogne-Dejean, O. D. Mücke, F. X. Kärtner, A. Rubio

Nature Communications 8, 745 (2017)

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Journal Article

Modeling of laser-pulse induced water decomposition on two-dimensional materials by simulations based on time-dependent density functional theory

Y. Miyamoto, H. Zhang, X. Cheng, A. Rubio

Physical Review B 96 (11), 115451 (2017)

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Journal Article

Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties

L. D. Xian, A. P. Paz, E. Bianco, P. M. Ajayan, A. Rubio

2D Materials 4 (4), 041003 (2017)

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Journal Article

Momentum-Resolved View of Electron-Phonon Coupling in Multilayer WSe₂

L. Waldecker, R. Bertoni, H. Hübener, T. Brumme, T. Vasileiadis, D. Zahn, A. Rubio, R. Ernstorfer

Physical Review Letters 119 (3), 036803 (2017)

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Journal Article

Anomalous anisotropic exciton temperature dependence in rutile TiO₂

E. Baldini, A. Dominguez, L. Chiodo, E. Sheveleva, M. Yazdi-Rizi, C. Bernhard, A. Rubio, M. Chergui

Physical Review B 96 (4), 041204 (2017)

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supplementary-material